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Electrostatics

Molecular Modeling of Disease Causing Mutations in Domain C1 of cMyBP-C

Poornima Gajendrarao, Navaneethakrishnan Krishnamoorthy, Heba Sh Kassem, Sarah Moharem-Elgamal, Franco Cecchi, Iacopo Olivotto, Magdi H. Yacoub

published 19 Mar 2013

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A Quantitative Measure of Electrostatic Perturbation in Holo and Apo Enzymes Induced by Structural Changes

Sandeep Chakraborty

published 14 Mar 2013

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Evaluating the Effect of Ionic Strength on Duplex Stability for PNA Having Negatively or Positively Charged Side Chains

N. Tilani S. De Costa, Jennifer M. Heemstra

published 06 Mar 2013

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Game On, Science - How Video Game Technology May Help Biologists Tackle Visualization Challenges

Zhihan Lv, Alex Tek, Franck Da Silva, Charly Empereur-mot, Matthieu Chavent, Marc Baaden

published 06 Mar 2013

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Protein-Protein Docking with F²Dock 2.0 and GB-Rerank

Rezaul Chowdhury, Muhibur Rasheed, Donald Keidel, Maysam Moussalem, Arthur Olson, Michel Sanner, Chandrajit Bajaj

published 06 Mar 2013

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Parallel Screening of Wild-Type and Drug-Resistant Targets for Anti-Resistance Neuraminidase Inhibitors

Kai-Cheng Hsu, Hui-Chen Hung, Jim-Tong Horng, Ming-Yu Fang, Chun-Yu Chang, Ling-Ting Li, I-Jung Chen, Yun-Chu Chen, Ding-Li Chou, Chun-Wei Chang, Hsing-Pang Hsieh, Jinn-Moon Yang, John T.-A. Hsu

published 20 Feb 2013

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An Advanced Coarse-Grained Nucleosome Core Particle Model for Computer Simulations of Nucleosome-Nucleosome Interactions under Varying Ionic Conditions

Yanping Fan, Nikolay Korolev, Alexander P. Lyubartsev, Lars Nordenskiöld

published 13 Feb 2013

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Identification of PPARgamma Partial Agonists of Natural Origin (II): In Silico Prediction in Natural Extracts with Known Antidiabetic Activity

Laura Guasch, Esther Sala, Miquel Mulero, Cristina Valls, Maria Josepa Salvadó, Gerard Pujadas, Santiago Garcia-Vallvé

published 06 Feb 2013

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Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, Manian Rajesh Kumar, Soo Hyun Eom, Keun Woo Lee

published 28 Jan 2013

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Effect of Temperature and Capsid Tail on the Packing and Ejection of Viral DNA

Afaf Al Lawati, Issam Ali, Muataz Al Barwani

published 08 Jan 2013

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Atomistic Study of Lipid Membranes Containing Chloroform: Looking for a Lipid-Mediated Mechanism of Anesthesia

Ramon Reigada

published 02 Jan 2013

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Without Salt, the ‘Thermophilic’ Protein Mth10b Is Just Mesophilic

Nan Zhang, Xian-Ming Pan, Meng Ge

published 27 Dec 2012

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Structural Analysis of Glutaredoxin Domain of Mus musculus Thioredoxin Glutathione Reductase

Olena Dobrovolska, Elena Shumilina, Vadim N. Gladyshev, Alexander Dikiy

published 26 Dec 2012

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